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N-(2-bromophenyl)-4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamide

View entire compound with spectra: 2 NMR

N-(2-bromophenyl)-4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamide
SpectraBase Compound ID 4htmNLUrteb
InChI InChI=1S/C17H13Br2N3O/c18-14-9-20-22(11-14)10-12-5-7-13(8-6-12)17(23)21-16-4-2-1-3-15(16)19/h1-9,11H,10H2,(H,21,23)
InChIKey ZEKSQLZEXGFQIA-UHFFFAOYSA-N
Mol Weight 435.12 g/mol
Molecular Formula C17H13Br2N3O
Exact Mass 432.942538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wAE6LUxCdA
Name N-(2-Bromophenyl)-4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 432.942538050 u
Formula C17H13Br2N3O
InChI InChI=1S/C17H13Br2N3O/c18-14-9-20-22(11-14)10-12-5-7-13(8-6-12)17(23)21-16-4-2-1-3-15(16)19/h1-9,11H,10H2,(H,21,23)
InChIKey ZEKSQLZEXGFQIA-UHFFFAOYSA-N
Molecular Weight 435.119 g/mol
SMILES N(C=1C(Br)=CC=CC1)C(C1=CC=C(CN2N=CC(=C2)Br)C=C1)=O